NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7904 8.4449 120.3921 55.9872 30.4337 172.2567 2 K 4.4421 8.2219 126.4117 54.8384 33.5864 174.6377 3 C 4.9290 8.4160 119.2687 56.5789 43.4070 173.8623 4 D 4.5833 7.9929 118.1659 53.7276 41.7747 176.5400 5 I 3.7076 8.3456 123.7104 64.3007 38.4185 177.9630 6 T 3.8697 8.1710 116.9332 66.8462 68.0996 175.7519 7 L 3.9292 7.9961 120.5368 58.1263 41.5944 179.5127 8 Q 4.0710 8.2713 119.2603 59.0390 28.9652 177.9904 9 E 3.9550 7.9962 119.4444 59.0467 29.4868 179.1355 10 I 3.5934 7.9671 120.3074 64.4942 37.1443 178.4411 11 I 3.6106 7.8236 120.6360 64.2079 37.0024 178.6313 12 K 3.8291 8.1611 119.2978 59.7628 31.8521 179.3854 13 T 3.4872 7.6218 115.7434 66.6736 68.3155 176.5249 14 L 3.9021 7.9857 120.8574 58.0726 41.1878 179.4980 15 N 4.2822 8.3978 116.7398 55.9165 38.1894 177.3924 16 S 4.0166 7.5257 114.3992 60.5312 63.1149 176.4481 17 L 4.2396 8.0106 123.3447 58.0700 41.2944 179.4503 18 T 4.0368 7.9681 107.5029 63.7101 68.9840 175.0253 19 E 4.1586 7.5236 118.4623 56.6152 30.1893 175.8683 20 Q 4.4085 7.6203 120.0826 54.2035 30.3401 174.1623 21 K 4.4707 8.4739 126.6352 55.6145 33.5913 175.7889 22 T 4.7839 7.9977 120.5786 62.2054 72.1531 173.4569 23 L 4.1779 8.6172 120.6658 58.4591 42.0174 179.1208 24 C 4.5706 8.2571 118.3725 59.0506 42.8489 175.1822 25 T 3.6708 8.0678 109.2158 63.7609 68.4075 174.9265 26 E 4.4337 8.0396 119.8044 56.2782 30.2424 175.6995 27 L 4.4922 7.9606 120.5329 54.7071 43.3528 176.0948 28 T 5.1020 8.3671 116.5782 63.0469 70.2950 174.6271 29 V 4.5514 8.6062 122.4149 61.2946 35.7689 174.5774 30 T 4.2033 8.3208 122.1614 63.6179 68.7074 175.4560 31 D 4.7975 8.7006 127.2671 53.8765 38.8005 176.4460 32 I 3.6900 7.8401 124.0163 62.8633 37.4820 176.7551 33 F 5.0394 7.8229 118.0585 57.5147 39.2372 175.8417 34 A 4.6487 7.6800 121.3014 51.6863 19.7740 177.5961 35 A 4.3216 7.8266 119.0938 52.0844 19.4297 177.7499 36 S 4.8367 8.8197 113.1608 56.1362 63.7204 175.5019 37 K 5.4071 7.4499 131.1227 58.4320 32.5206 173.9366 38 N 4.3453 7.7776 120.1558 54.4226 40.0233 173.8781 39 T 4.3215 8.1455 115.4236 60.7588 70.0038 170.1986 40 T 3.4455 8.5445 131.6165 62.5509 68.6590 172.9884 41 E 3.8430 8.4551 123.2641 57.9722 30.2611 178.5721 42 K 3.9879 7.6497 118.7829 58.2209 33.1339 178.7202 43 E 4.0565 7.9040 118.5542 59.3360 29.4167 178.8613 44 T 3.9421 7.7975 115.7620 66.7942 68.5318 176.5858 45 F 4.6126 7.6154 119.6680 60.8555 38.9661 176.9047 46 C 4.1621 8.4266 118.0661 59.6876 38.3221 175.8375 47 R 3.8218 8.3079 119.7917 59.2677 29.6949 178.9895 48 A 4.1813 8.4013 120.6186 54.9630 18.4587 179.5354 49 A 4.2671 7.7102 120.6568 55.0172 18.1074 179.9758 50 T 3.9263 7.7727 114.5270 66.8599 68.5976 177.0502 51 V 3.7467 7.4994 120.0137 65.6418 31.5138 178.1247 52 L 4.0361 7.9370 118.9244 57.4195 41.5535 179.3436 53 R 3.0451 7.8164 118.5238 59.0145 30.1022 178.5993 54 Q 3.7854 7.7181 118.0484 59.1987 28.7459 177.9243 55 F 4.0718 8.1238 121.8513 61.3636 38.9918 176.4580 56 Y 4.4301 8.6260 117.1595 60.4664 37.5680 178.9067 57 S 4.1559 7.2426 115.5284 61.7425 63.0625 176.0018 58 H 4.4959 7.6533 116.2841 57.4361 28.8069 176.3387 59 H 4.7061 7.7003 116.5774 55.2680 29.0073 175.5397 60 E 4.1978 7.9954 122.6648 58.0956 29.5262 177.3203 61 K 4.6079 7.6969 116.4654 56.2125 33.3556 175.1899 62 D 4.4603 7.8702 120.5342 54.8490 41.3137 176.9414 63 T 3.8790 8.6054 118.2195 65.0715 68.6505 176.1902 64 R 4.0712 8.3885 119.7908 58.2942 28.7435 177.1222 65 C 4.8020 8.3246 115.5827 57.5267 38.1536 175.7961 66 L 4.1609 7.8248 120.5820 55.0907 41.0491 178.4416 67 G 4.2543 7.2380 100.7075 45.6955 0.0000 173.0412 68 A 4.2870 9.4215 121.9265 54.1948 19.8468 178.9642 69 T 4.3953 7.7569 105.4407 60.6007 71.8845 175.4186 70 A 4.0563 8.3330 122.1284 54.8967 18.1979 179.6368 71 Q 3.8966 7.9817 117.9011 59.5982 29.3258 178.0412 72 Q 4.0227 8.0385 119.0487 59.1644 28.8136 179.0281 73 F 5.1174 8.2172 122.7865 61.2272 39.4173 176.9982 74 H 4.0671 8.3128 115.9153 58.7826 28.4602 177.9863 75 R 3.8500 8.2684 120.2100 59.4065 29.8635 178.4518 76 H 4.0851 8.1040 117.9540 59.3694 29.8750 177.3088 77 K 3.6646 7.5569 120.0338 59.4846 31.7983 179.1388 78 Q 3.4482 7.6856 119.7583 58.5212 28.8801 177.8029 79 L 3.8806 7.9646 121.8280 58.3303 42.2315 179.0604 80 I 3.6622 7.6346 119.7362 64.1334 36.9645 178.2809 81 R 3.7075 7.6855 119.4673 59.6049 29.8670 178.6435 82 F 4.6245 7.7433 117.3537 60.6786 38.8212 177.7040 83 L 4.0853 8.0327 118.6888 57.8155 41.4246 179.7904 84 K 3.7558 7.7397 118.0173 58.9750 31.7811 179.4556 85 R 3.8927 8.0465 119.1391 59.3578 30.0835 178.3994 86 L 3.9288 8.0964 120.1530 58.0779 42.1325 178.2879 87 D 4.2499 8.3685 118.1621 57.5408 41.2872 178.2370 88 R 4.2362 8.2372 119.0876 59.5064 30.0004 178.2825 89 N 4.3541 8.0232 116.5579 56.0534 38.5615 177.0415 90 L 3.6969 7.9212 121.6230 58.0648 42.2106 179.0297 91 W 4.7153 8.6159 119.3619 59.9572 28.7822 178.8355 92 G 3.7402 8.1761 104.7753 47.5170 0.0000 175.2168 93 L 4.2603 7.8383 121.7291 57.6416 41.4852 178.4779 94 A 4.3807 8.8294 121.3879 55.0151 18.2196 179.7385 95 G 4.1802 8.3052 102.8257 46.1018 0.0000 173.1819 96 L 4.7075 7.7353 120.5011 53.3349 45.0268 175.1441 97 N 4.9678 8.8760 122.1155 53.1901 39.7120 173.9559 98 S 4.7045 7.9660 112.5009 58.0116 66.7898 172.2636 99 C 4.9133 8.6162 118.7794 53.5740 44.3264 171.1573 100 P 4.6813 0.0000 0.0000 61.2198 31.9881 175.0584 101 V 4.2256 8.3806 123.5718 61.0173 32.1542 174.7599 102 K 4.5317 8.1839 125.0537 56.1506 33.4799 176.2096 103 E 4.2266 8.0475 118.8517 56.6347 30.0432 176.1293 104 A 4.6064 8.1594 120.0802 52.1207 21.2154 176.4060 105 N 4.6304 8.0588 114.3445 53.9477 40.2483 173.8823 106 Q 5.3504 8.6224 122.0858 54.2137 32.5520 174.4171 107 S 4.9704 8.7499 115.4314 56.5145 67.3650 173.4968 108 T 4.6073 8.3898 109.9690 60.9386 69.6851 175.2622 109 L 3.8339 8.9914 124.2535 58.0770 41.7175 178.5549 110 E 3.9351 8.1785 119.3469 59.6206 29.4967 178.7924 111 N 4.3500 8.1158 115.8498 56.1836 38.6229 176.9977 112 F 4.1406 8.0880 121.9202 61.6555 39.4740 177.3161 113 L 4.0222 8.2706 118.3623 57.5537 41.4650 179.1271 114 E 3.8966 7.9751 119.5373 58.9101 29.5873 178.8062 115 R 3.6098 7.9672 118.8481 59.3070 30.1213 178.1134 116 L 3.5398 7.3139 120.0833 57.9189 41.9265 178.7394 117 K 3.7762 7.9127 119.3932 59.8307 32.1967 178.9049 118 T 3.7917 7.5526 115.9084 66.6009 68.3785 176.8188 119 I 3.7587 7.6136 114.9169 63.9590 37.5078 178.2755 120 M 4.0742 8.1839 120.8719 58.4442 31.8367 178.9094 121 R 3.9460 8.1572 118.0528 58.6542 30.1402 178.8540 122 E 3.9120 7.9612 119.1498 59.1008 29.4747 178.5444 123 K 3.8972 8.3839 117.5482 59.8975 32.5216 177.8978 124 Y 4.1931 8.2859 119.5988 61.1142 38.7882 178.4894 125 S 4.2703 8.2907 115.6721 61.7667 62.8378 176.7579 126 K 4.2521 8.0197 118.5954 58.4730 31.7882 177.7600 127 C 4.5986 8.0094 116.4487 56.6692 41.1152 173.7222 128 S 4.8918 6.8563 112.2806 56.0371 65.2702 174.1876 129 S 4.3292 8.4879 114.9105 58.7044 63.0765 174.0058 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 H 8.44 4.79 0.00 3.06 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.22 4.44 0.00 1.84 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.67 7.81 3 C 8.42 4.93 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.99 4.58 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.35 3.71 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.91 0.00 0.00 6 T 8.17 3.87 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 7 L 8.00 3.93 0.00 2.01 1.81 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.27 4.07 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 E 8.00 3.95 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 10 I 7.97 3.59 1.91 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.78 0.00 0.00 11 I 7.82 3.61 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.82 0.00 0.00 12 K 8.16 3.83 0.00 1.94 1.74 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.70 7.81 13 T 7.62 3.49 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 14 L 7.99 3.90 0.00 1.72 1.65 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.40 4.28 0.00 2.83 2.78 0.00 0.00 6.75 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.53 4.02 0.00 3.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.01 4.24 0.00 1.91 1.77 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.97 4.04 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 19 E 7.52 4.16 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.25 0.00 20 Q 7.62 4.41 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 21 K 8.47 4.47 0.00 1.77 1.69 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 22 T 8.00 4.78 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 23 L 8.62 4.18 0.00 1.66 1.87 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.26 4.57 0.00 3.12 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.07 3.67 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 26 E 8.04 4.43 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 27 L 7.96 4.49 0.00 1.90 1.65 0.81 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.37 5.10 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 29 V 8.61 4.55 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.84 0.00 0.00 30 T 8.32 4.20 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 D 8.70 4.80 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.84 3.69 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.40 0.08 0.00 0.00 33 F 7.82 5.04 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.68 4.65 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.83 4.32 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.82 4.84 0.00 3.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.45 5.41 0.00 1.96 1.94 0.00 1.47 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.23 7.81 38 N 7.78 4.35 0.00 2.79 2.80 0.00 0.00 7.14 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.15 4.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 T 8.54 3.45 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 41 E 8.46 3.84 0.00 1.70 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.97 0.00 42 K 7.65 3.99 0.00 1.77 2.02 0.00 1.91 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.47 1.55 7.81 43 E 7.90 4.06 0.00 2.45 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 44 T 7.80 3.94 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 45 F 7.62 4.61 0.00 2.96 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.43 4.16 0.00 3.27 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.31 3.82 0.00 2.08 1.90 0.00 3.29 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 48 A 8.40 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.71 4.27 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.77 3.93 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 51 V 7.50 3.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.90 0.00 0.00 52 L 7.94 4.04 0.00 2.00 1.82 1.04 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.82 3.05 0.00 2.32 2.08 0.00 3.59 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 54 Q 7.72 3.79 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 55 F 8.12 4.07 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.63 4.43 0.00 3.35 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.24 4.16 0.00 3.59 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 7.65 4.50 0.00 2.90 3.09 0.00 5.63 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.70 4.71 0.00 2.65 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.00 4.20 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 61 K 7.70 4.61 0.00 1.86 1.86 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.47 7.81 62 D 7.87 4.46 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.61 3.88 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 64 R 8.39 4.07 0.00 1.99 2.05 0.00 3.14 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 65 C 8.32 4.80 0.00 2.94 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.82 4.16 0.00 1.69 1.78 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.42 4.29 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.76 4.40 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 70 A 8.33 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.98 3.90 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 72 Q 8.04 4.02 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 73 F 8.22 5.12 0.00 3.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.31 4.07 0.00 3.38 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.27 3.85 0.00 2.01 1.98 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 76 H 8.10 4.09 0.00 3.33 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.56 3.66 0.00 1.74 1.58 0.00 1.50 0.00 0.00 1.21 0.00 0.00 2.53 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.08 0.60 7.81 78 Q 7.69 3.45 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.11 1.39 0.00 79 L 7.96 3.88 0.00 1.75 1.76 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.63 3.66 1.73 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.89 0.00 0.00 81 R 7.69 3.71 0.00 1.88 1.63 0.00 3.04 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 82 F 7.74 4.62 0.00 3.02 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.03 4.09 0.00 1.88 1.91 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.74 3.76 0.00 1.77 1.66 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.48 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.15 7.81 85 R 8.05 3.89 0.00 2.00 2.07 0.00 3.09 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 86 L 8.10 3.93 0.00 1.84 1.94 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.37 4.25 0.00 3.32 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.24 4.24 0.00 2.08 2.18 0.00 3.20 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 89 N 8.02 4.35 0.00 2.85 2.79 0.00 0.00 6.59 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.92 3.70 0.00 1.93 1.50 0.60 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.62 4.72 0.00 3.52 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.18 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.84 4.26 0.00 1.83 1.76 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.83 4.38 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.31 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.74 4.71 0.00 1.81 1.67 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.88 4.97 0.00 2.62 2.69 0.00 0.00 6.94 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.97 4.70 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 8.62 4.91 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.68 0.00 2.18 2.11 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 101 V 8.38 4.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 102 K 8.18 4.53 0.00 1.83 1.84 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.36 7.81 103 E 8.05 4.23 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 104 A 8.16 4.61 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.06 4.63 0.00 2.81 2.72 0.00 0.00 7.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.62 5.35 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 107 S 8.75 4.97 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.39 4.61 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 109 L 8.99 3.83 0.00 1.55 1.75 0.69 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.18 3.94 0.00 2.31 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 111 N 8.12 4.35 0.00 2.93 2.90 0.00 0.00 6.71 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.09 4.14 0.00 3.19 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.27 4.02 0.00 2.15 1.70 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.98 3.90 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 115 R 7.97 3.61 0.00 1.90 1.75 0.00 3.04 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.00 116 L 7.31 3.54 0.00 1.52 1.43 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.91 3.78 0.00 2.02 1.79 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 118 T 7.55 3.79 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 119 I 7.61 3.76 1.79 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.56 0.00 0.00 120 M 8.18 4.07 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.81 0.00 121 R 8.16 3.95 0.00 1.80 1.90 0.00 3.04 0.00 0.00 3.00 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 122 E 7.96 3.91 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 123 K 8.38 3.90 0.00 2.02 2.01 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.67 7.81 124 Y 8.29 4.19 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.29 4.27 0.00 4.13 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.02 4.25 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.57 7.81 127 C 8.01 4.60 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 6.86 4.89 0.00 4.04 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.49 4.33 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00